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Compound Detail

CHEMBL5613735

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c1cc(-c2nn[nH]c2-c2ccnc3ccccc23)c2occc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5613735
Phase Preclinical
Structure Type MOL
InChI Key SPAUTGYVYVWKKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
4.43
ALogP
4
HBA
1
HBD
67.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12N4O
MW 312.33
Aromatic Rings 5
Heavy Atoms 24
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
38901104 10.1016/j.ejmech.2024.116611 MGC-803 1
38901104 10.1016/j.ejmech.2024.116611 KYSE-30 1
38901104 10.1016/j.ejmech.2024.116611 HCT-116 1

Data from ChEMBL 36 via Core Engine